Substrates

Tag Smiles Reactive Atoms Reactions
PTDBSUB00606 O=C(O)c1cc2cccc(O)c2cc1O 2 2
PTDBSUB00689 Cc1ccc(C[C@@H]2NC(=O)[C@H](Cc3ccc(O)cc3)NC2=O)cc1 1 2
PTDBSUB00082 COc1ccc2c3c([nH]c2c1)[C@H](C=C(C)C)N1C(=O)[C@@H]2CCCN2C(=O)[C@]1(O)[C@H]3O 1 1
PTDBSUB00085 COc1ccc2c3c(n(CC=C(C)C)c2c1)[C@H](C=C(C)C)N1C(=O)[C@@H]2CCCN2C(=O)[C@]1(O)[C@H]3O 1 1
PTDBSUB00088 COc1ccc2c3c4n(c2c1)[C@@H](C=C(C)C)OOC(C)(C)C[C@@H]4N1C(=O)[C@@H]2CCCN2C(=O)[C@]1(O)[C@H]3O 1 1
PTDBSUB00091 Cc1cc2oc3cccc(O)c3c(=O)c2c(CO)c1O 1 1
PTDBSUB00097 Cc1cc2oc3cccc(O)c3c(=O)c2c(C)c1O 1 1
PTDBSUB00100 Cc1c(O)c(C)c2c(=O)c3c(O)cccc3oc2c1C 1 1
PTDBSUB00123 COc1cccc2[nH]cc(C[C@H](N)C(=O)O)c12 1 1
PTDBSUB00136 CC(=O)/C=C/c1c[nH]c2ccccc12 1 1
PTDBSUB00148 C=c1c(OC)c(-c2c(CC=C(C)C)[nH]c3ccccc23)c(=C)c(OC)c1-c1c[nH]c2ccccc12 1 1
PTDBSUB00205 CC(C)=CCc1cccc2c(C[C@H](N)C(=O)O)c[nH]c12 1 1
PTDBSUB00208 CC(C)=CCc1cccc2c(C[C@@H](N)C(=O)O)c[nH]c12 1 1
PTDBSUB00211 CC(C)=CCc1cccc2c(C[C@H](N)CC(=O)O)c[nH]c12 1 1
PTDBSUB00214 CC(C)=CCc1cccc2c(CCN)c[nH]c12 1 1
PTDBSUB00217 CN[C@@H](Cc1c[nH]c2c(CC=C(C)C)cccc12)C(=O)O 1 1
PTDBSUB00220 CC(C)=CCc1cccc2c(C[C@@](C)(N)C(=O)O)c[nH]c12 1 1
PTDBSUB00223 CC(C)=CCc1cccc2c(C[C@](C)(N)C(=O)O)c[nH]c12 1 1
PTDBSUB00226 CC(C)=CCc1cccc2c(C[C@H](O)C(=O)O)c[nH]c12 1 1
PTDBSUB00229 CC(C)=CCc1cccc2c(C[C@@H](O)C(=O)O)c[nH]c12 1 1
PTDBSUB00233 CC(C)=CCc1cc(C)cc2c(C[C@H](N)C(=O)O)c[nH]c12 1 1
PTDBSUB00236 CC(C)=CCc1cc(C)cc2c(C[C@@H](N)C(=O)O)c[nH]c12 1 1
PTDBSUB00239 CC(C)=CCc1c(C)ccc2c(C[C@H](N)C(=O)O)c[nH]c12 1 1
PTDBSUB00242 CC(C)=CCc1c(C)ccc2c(C[C@@H](N)C(=O)O)c[nH]c12 1 1
PTDBSUB00245 COc1cc(CC=C(C)C)c2[nH]cc(C[C@H](N)C(=O)O)c2c1 1 1
PTDBSUB00248 COc1cc(CC=C(C)C)c2[nH]cc(C[C@@H](N)C(=O)O)c2c1 1 1
PTDBSUB00251 CC(C)=CCc1cccc2[nH]cc(C[C@H](N)C(=O)O)c12 1 1
PTDBSUB00253 CC(C)=CCc1cccc2[nH]cc(C[C@@H](N)C(=O)O)c12 1 1
PTDBSUB00255 CC(C)=CCc1cccc2[nH]cc(C[C@H](N)CC(=O)O)c12 1 1
PTDBSUB00257 CC(C)=CCc1cccc2[nH]cc(CCN)c12 1 1
PTDBSUB00260 CN[C@@H](Cc1c[nH]c2cccc(CC=C(C)C)c12)C(=O)O 1 1
PTDBSUB00262 CC(C)=CCc1cccc2[nH]cc(C[C@@](C)(N)C(=O)O)c12 1 1
PTDBSUB00264 CC(C)=CCc1cccc2[nH]cc(C[C@](C)(N)C(=O)O)c12 1 1
PTDBSUB00266 CC(C)=CCc1cccc2[nH]cc(C[C@H](O)C(=O)O)c12 1 1
PTDBSUB00268 CC(C)=CCc1cccc2[nH]cc(C[C@@H](O)C(=O)O)c12 1 1
PTDBSUB00270 CC(C)=CCc1c(C)ccc2[nH]cc(C[C@H](N)C(=O)O)c12 1 1
PTDBSUB00272 CC(C)=CCc1c(C)ccc2[nH]cc(C[C@@H](N)C(=O)O)c12 1 1
PTDBSUB00274 CC(C)=CCc1cc(C)cc2[nH]cc(C[C@H](N)C(=O)O)c12 1 1
PTDBSUB00276 CC(C)=CCc1cc(C)cc2[nH]cc(C[C@@H](N)C(=O)O)c12 1 1
PTDBSUB00278 COc1ccc2[nH]cc(C[C@H](N)C(=O)O)c2c1CC=C(C)C 1 1
PTDBSUB00281 COc1ccc2[nH]cc(C[C@@H](N)C(=O)O)c2c1CC=C(C)C 1 1
PTDBSUB00300 O=C(O)/C=C/c1c[nH]c2ccccc12 1 1
PTDBSUB00385 CC(=O)O[C@H]1[C@@H](C)CN(C)[C@@H]2Cc3c[nH]c4cccc(c34)[C@@H]12 1 1
PTDBSUB00388 CC(=O)O[C@H]1[C@H](C)CN(C)[C@@H]2Cc3c[nH]c4cccc(c34)[C@@H]12 1 1
PTDBSUB00396 O=C(O)c1cccc2c1Nc1ccccc1N2 1 1
PTDBSUB00412 O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1Cc1ccc(O)cc1 1 1
PTDBSUB00418 N[C@@H](CC(=O)O)Cc1c[nH]c2ccccc12 1 1
PTDBSUB00429 N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O 1 1
PTDBSUB00438 N[C@@H](Cc1c[nH]c2ccc(F)cc12)C(=O)O 1 1
PTDBSUB00445 Cc1ccc2cccc(O)c2c1 1 1
PTDBSUB00448 COc1cccc2ccc(O)cc12 1 1
PTDBSUB00451 CCOc1cccc2ccc(O)cc12 1 1
PTDBSUB00545 Nc1ccc(C[C@@H](N)C(=O)O)cc1 1 1
PTDBSUB00548 N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)O 1 1
PTDBSUB00551 N[C@@H](CC(=O)O)c1ccc(O)cc1 1 1
PTDBSUB00554 N[C@@H](C(=O)O)c1ccc(O)cc1 1 1
PTDBSUB00558 N[C@H](Cc1ccccc1O)C(=O)O 1 1
PTDBSUB00562 Nc1cc(C[C@@H](N)C(=O)O)ccc1O 1 1
PTDBSUB00568 O=C(O)CCc1ccc(O)cc1 1 1
PTDBSUB00571 O=C(O)[C@@H](O)Cc1ccc(O)cc1 1 1
PTDBSUB00574 O=C(O)[C@H](O)Cc1ccc(O)cc1 1 1
PTDBSUB00578 C[C@@](N)(Cc1ccc(O)cc1)C(=O)O 1 1
PTDBSUB00581 N[C@H](Cc1ccc(O)c(F)c1)C(=O)O 1 1
PTDBSUB00587 N[C@H](Cc1ccc(O)c(I)c1)C(=O)O 1 1
PTDBSUB00590 N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 1 1
PTDBSUB00593 N[C@@H](C(=O)O)[C@@H](O)c1ccc(O)c(O)c1 1 1
PTDBSUB00610 O=C(O)c1cc2cc(O)ccc2cc1O 1 1